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rac-3-[(Dodecylamino)(3,5-dibromo-2-hydroxyphenyl)methyl]-2-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID EAUqyiKFFdG
InChI InChI=1S/C29H35Br2NO4/c1-2-3-4-5-6-7-8-9-10-13-16-32-25(22-17-19(30)18-23(31)26(22)33)24-27(34)20-14-11-12-15-21(20)28(35)29(24)36/h11-12,14-15,17-18,25,32-33,36H,2-10,13,16H2,1H3
InChIKey HDKHOPSFTWEONV-UHFFFAOYSA-N
Mol Weight 621.4 g/mol
Molecular Formula C29H35Br2NO4
Exact Mass 619.093285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A68UzpmEMH2
Name rac-3-[(Dodecylamino)(3,5-dibromo-2-hydroxyphenyl)methyl]-2-hydroxy-1,4-naphthoquinone
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35Br2NO4
InChI InChI=1S/C29H35Br2NO4/c1-2-3-4-5-6-7-8-9-10-13-16-32-25(22-17-19(30)18-23(31)26(22)33)24-27(34)20-14-11-12-15-21(20)28(35)29(24)36/h11-12,14-15,17-18,25,32-33,36H,2-10,13,16H2,1H3
InChIKey HDKHOPSFTWEONV-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900128
Molecular Weight 621.410 g/mol
SMILES Oc1c(cc(cc1C(C1=C(O)C(c2ccccc2C1=O)=O)NCCCCCCCCCCCC)Br)Br
SPLASH splash10-0006-9500210000-2f2ada7263669a374853
Source of Spectrum APC-352-5-2c
Wiley ID 1838349